Chemical ID: 4190433

c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)F)CCO)O
Chemical ID:
4190433
Name [?]:
4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)F)CCO)O
InChi [?]:
InChI=1/C19H16FNO4/c20-14-8-6-12(7-9-14)16-15(17(23)13-4-2-1-3-5-13)18(24)19(25)21(16)10-11-22/h1-9,16,22,24H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,16,20,17,19,22,23,15,4,18,9,14,7,10,11,21,13,24,8,25,12/E:(2,3)(4,5)(6,7)(8,9)/rA:25cCCCCCCCOCCCONCCCCCCCFCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;d9;s10;d11;s11;s9s13;s14;s15;d16;s17;d18;d15s19;s18;s13;s22;s23;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16FNO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:7.80646
Area:520.746
Solvation:-5.21219
Coulombic:-64.5903
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.333
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.65
LogP (Chemaxon):1.92

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